input word = C00032522

Metabolite InformationStructural formula
Name Xindongnin B
(-)-Xindongnin B
Formula C22H32O6
Mw 392.21988875
CAS RN 97230-45-0
C_ID C00032522 ,
InChIKey LQXDPFOVHUBZHG-YLKFOZDGNA-N
InChICode InChI=1S/C22H32O6/c1-10-12-8-22(19(10)27)9-13(24)17-20(3,4)14(25)6-7-21(17,5)18(22)16(15(12)26)28-11(2)23/h12-18,24-26H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16+,17-,18+,21-,22+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(C[C@@H]2O)C[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=C)C3=O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon melissoides Ref.
PlantaeLabiataeIsodon rubescens var. rubescens Ref.
PlantaeLamiaceaeRabdosia rubescens Ref.
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